2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one

C16H23N3O — CID 137278960

IUPAC2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C16H23N3O/c1-9-12(13(20)19-14(17)18-9)16-6-10-3-11(7-16)5-15(2,4-10)8-16/h10-11H,3-8H2,1-2H3,(H3,17,18,19,20)
InChIKeyGXTRMYUQCSBVEH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.52
Rot. Bonds1

About 2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one

2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one (PubChem CID 137278960) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one
PubChem CID137278960
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C16H23N3O/c1-9-12(13(20)19-14(17)18-9)16-6-10-3-11(7-16)5-15(2,4-10)8-16/h10-11H,3-8H2,1-2H3,(H3,17,18,19,20)
InChIKeyGXTRMYUQCSBVEH-UHFFFAOYSA-N
XLogP2.52
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one (CID 137278960) is 2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one?
The InChIKey is GXTRMYUQCSBVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-9-12(13(20)19-14(17)18-9)16-6-10-3-11(7-16)5-15(2,4-10)8-16/h10-11H,3-8H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one?
2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one has a molecular weight of 273.38 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-5-(3-methyl-1-adamantyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137278960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).